Geometry & MOs

Info

ID:	241293
PubChem CID:	96022492
Reduced:	NCl2C16H21 (1)
Stoich.:	AB2C16D21 (1)
Weight, g/mol:	239.026855
ΔH_f, kcal/mol:	-4.5
Dipole, Da:	2.65
IP(EA), eV:	-8.95(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-6,8-dichloro-1-prop-1-ynyl-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CC1(C(C1(C)C)[C@@H]2C3=C(CCN2)C=C(C=C3Cl)Cl)C

DOS

IR

Vibrations